C3Z

Bonds

First atom	Second atom	Bond order type	Distance (experimental model)	Distance (ideal model)	Properties
C7	N8	doub	1.31Å	1.31Å	Aromatic
C7	C6	sing	1.40Å	1.40Å	Aromatic
N8	N9	sing	1.40Å	1.40Å	Aromatic
C6	C5	doub	1.37Å	1.36Å	Aromatic
N9	C5	sing	1.37Å	1.38Å	Aromatic
N9	C10	sing	1.40Å	1.42Å
C5	C3	sing	1.48Å	1.48Å
C26	C25	doub	1.38Å	1.40Å	Aromatic
C26	C28	sing	1.38Å	1.40Å	Aromatic
C11	C10	doub	1.39Å	1.41Å	Aromatic
C11	C12	sing	1.38Å	1.40Å	Aromatic
C25	C27	sing	1.38Å	1.39Å	Aromatic
C10	C15	sing	1.39Å	1.41Å	Aromatic
C3	C4	doub	1.38Å	1.39Å	Aromatic
C3	C2	sing	1.41Å	1.42Å	Aromatic
C28	C23	doub	1.38Å	1.40Å	Aromatic
O16	C2	sing	1.36Å	1.35Å
C12	C13	doub	1.38Å	1.40Å	Aromatic
C27	C24	doub	1.38Å	1.40Å	Aromatic
C4	C18	sing	1.41Å	1.40Å	Aromatic
C2	C1	doub	1.36Å	1.39Å	Aromatic
C15	C14	doub	1.38Å	1.39Å	Aromatic
C23	C24	sing	1.38Å	1.39Å	Aromatic
C23	C22	sing	1.51Å	1.52Å
C13	C14	sing	1.38Å	1.40Å	Aromatic
C18	C17	sing	1.47Å	1.42Å	Aromatic
C18	C19	doub	1.38Å	1.45Å	Aromatic
C1	C17	sing	1.41Å	1.42Å	Aromatic
C22	C19	sing	1.51Å	1.51Å
C17	N21	doub	1.32Å	1.38Å	Aromatic
C19	N20	sing	1.34Å	1.32Å	Aromatic
N21	N20	sing	1.40Å	1.39Å	Aromatic
C1	H1	sing	1.08Å	1.08Å
C7	H2	sing	1.08Å	1.08Å
C11	H3	sing	1.08Å	1.08Å
C12	H4	sing	1.08Å	1.08Å
C13	H5	sing	1.08Å	1.08Å
C14	H6	sing	1.08Å	1.08Å
C15	H7	sing	1.08Å	1.08Å
C22	H8	sing	1.09Å	1.10Å
C22	H9	sing	1.09Å	1.10Å
C24	H10	sing	1.08Å	1.08Å
C27	H11	sing	1.08Å	1.08Å
C4	H12	sing	1.08Å	1.08Å
C6	H13	sing	1.08Å	1.08Å
O16	H14	sing	0.97Å	0.95Å
N20	H15	sing	0.97Å	1.00Å
C25	H16	sing	1.08Å	1.08Å
C26	H17	sing	1.08Å	1.08Å
C28	H18	sing	1.08Å	1.08Å

Angles

First atom	Second atom	Third atom	Angle (experimental model)	Angle (ideal model)
N8	C7	C6	109.2°	108.6°
C7	N8	N9	108.5°	108.6°
N8	C7	H2	125.4°	125.7°
C7	C6	C5	107.4°	107.9°
C6	C7	H2	125.4°	125.7°
C7	C6	H13	126.3°	126.1°
N8	N9	C5	107.3°	107.7°
N8	N9	C10	125.4°	126.2°
C6	C5	N9	107.5°	107.3°
C6	C5	C3	126.6°	126.4°
C5	C6	H13	126.3°	126.1°
C5	N9	C10	127.0°	126.2°
N9	C5	C3	125.8°	126.4°
N9	C10	C11	118.7°	120.1°
N9	C10	C15	121.4°	120.1°
C5	C3	C4	118.4°	119.4°
C5	C3	C2	121.2°	119.4°
C25	C26	C28	119.9°	120.0°
C26	C25	C27	119.5°	120.0°
C26	C25	H16	120.3°	120.0°
C25	C26	H17	120.0°	120.0°
C26	C28	C23	120.7°	120.0°
C28	C26	H17	120.1°	120.0°
C26	C28	H18	119.6°	120.0°
C10	C11	C12	120.0°	120.0°
C11	C10	C15	119.8°	119.8°
C10	C11	H3	120.0°	120.0°
C11	C12	C13	120.0°	120.0°
C12	C11	H3	120.0°	120.0°
C11	C12	H4	120.0°	120.0°
C25	C27	C24	120.4°	120.0°
C25	C27	H11	119.8°	120.0°
C27	C25	H16	120.2°	120.0°
C10	C15	C14	119.8°	120.0°
C10	C15	H7	120.1°	120.0°
C4	C3	C2	120.4°	121.2°
C3	C4	C18	119.3°	119.4°
C3	C4	H12	120.4°	120.3°
C3	C2	O16	119.1°	119.2°
C3	C2	C1	121.3°	121.6°
C28	C23	C24	119.1°	120.1°
C28	C23	C22	119.4°	120.0°
C23	C28	H18	119.7°	120.0°
O16	C2	C1	119.5°	119.2°
C2	O16	H14	109.5°	114.0°
C12	C13	C14	120.1°	120.2°
C13	C12	H4	120.0°	119.9°
C12	C13	H5	120.0°	119.9°
C27	C24	C23	120.4°	120.0°
C27	C24	H10	119.8°	120.0°
C24	C27	H11	119.8°	120.0°
C4	C18	C17	120.3°	119.0°
C4	C18	C19	132.8°	134.6°
C18	C4	H12	120.3°	120.3°
C2	C1	C17	118.2°	119.9°
C2	C1	H1	120.9°	120.1°
C15	C14	C13	120.4°	120.0°
C15	C14	H6	119.8°	120.0°
C14	C15	H7	120.1°	120.1°
C24	C23	C22	121.3°	120.0°
C23	C24	H10	119.8°	120.1°
C23	C22	C19	116.2°	109.5°
C23	C22	H8	107.7°	109.5°
C23	C22	H9	107.8°	109.5°
C14	C13	H5	120.0°	119.9°
C13	C14	H6	119.8°	120.0°
C17	C18	C19	106.9°	106.4°
C18	C17	C1	120.5°	118.9°
C18	C17	N21	105.6°	106.7°
C18	C19	C22	124.8°	126.0°
C18	C19	N20	107.6°	107.9°
C1	C17	N21	133.9°	134.4°
C17	C1	H1	120.9°	120.0°
C22	C19	N20	127.1°	126.1°
C19	C22	H8	107.8°	109.4°
C19	C22	H9	107.7°	109.5°
C17	N21	N20	110.0°	109.0°
C19	N20	N21	109.6°	110.0°
C19	N20	H15	125.2°	125.0°
N21	N20	H15	125.2°	124.9°
H8	C22	H9	109.5°	109.4°

Dihedrals

First atom	Second atom	Third atom	Fourth atom	Torsion (experimental model)	Torsion (ideal model)
N8	C7	C6	H2	180.0°	179.8°
N8	C7	C6	C5	0.1°	0.0°
C7	N8	N9	C5	2.7°	0.0°
C7	N8	N9	C10	176.5°	180.0°
N8	C7	C6	H13	179.9°	180.0°
C6	C7	N8	N9	1.7°	0.0°
C7	C6	C5	H13	180.0°	180.0°
C7	C6	C5	N9	1.6°	0.0°
C7	C6	C5	C3	180.0°	180.0°
N8	N9	C5	C6	2.6°	0.0°
N8	N9	C5	C10	173.7°	180.0°
N8	N9	C5	C3	179.0°	180.0°
N8	N9	C10	C11	58.9°	138.3°
N8	N9	C10	C15	124.1°	41.9°
N9	N8	C7	H2	178.3°	179.8°
C6	C5	N9	C3	178.4°	180.0°
C6	C5	N9	C10	176.3°	180.0°
C6	C5	C3	C4	123.5°	52.8°
C6	C5	C3	C2	58.3°	127.2°
C5	C6	C7	H2	179.9°	179.8°
C5	N9	C10	C11	113.7°	41.7°
C5	N9	C10	C15	63.3°	138.1°
N9	C5	C3	C4	58.4°	127.2°
N9	C5	C3	C2	119.7°	52.7°
N9	C5	C6	H13	178.4°	180.0°
C10	N9	C5	C3	5.3°	0.0°
N9	C10	C11	C15	177.0°	179.7°
N9	C10	C11	C12	177.6°	179.7°
N9	C10	C15	C14	176.7°	179.8°
N9	C10	C11	H3	2.4°	0.3°
N9	C10	C15	H7	3.3°	0.3°
C5	C3	C4	C2	178.1°	179.9°
C5	C3	C2	O16	2.9°	0.0°
C5	C3	C4	C18	175.4°	180.0°
C5	C3	C2	C1	174.6°	179.9°
C5	C3	C4	H12	4.6°	0.1°
C3	C5	C6	H13	0.0°	0.0°
C25	C26	C28	H17	180.0°	179.8°
C26	C25	C27	H16	180.0°	180.0°
C25	C26	C28	C23	1.1°	0.2°
C26	C25	C27	C24	0.4°	0.0°
C26	C25	C27	H11	179.5°	180.0°
C25	C26	C28	H18	179.0°	180.0°
C28	C26	C25	C27	0.3°	0.2°
C26	C28	C23	H18	180.0°	179.8°
C26	C28	C23	C24	2.2°	0.0°
C26	C28	C23	C22	176.3°	180.0°
C28	C26	C25	H16	179.7°	179.8°
C10	C11	C12	H3	180.0°	180.0°
C10	C11	C12	C13	0.9°	0.1°
C11	C10	C15	C14	0.3°	0.0°
C10	C11	C12	H4	179.0°	179.9°
C11	C10	C15	H7	179.7°	180.0°
C12	C11	C10	C15	0.6°	0.0°
C11	C12	C13	H4	180.0°	179.9°
C11	C12	C13	C14	0.4°	0.0°
C11	C12	C13	H5	179.6°	179.9°
C25	C27	C24	H11	180.0°	180.0°
C25	C27	C24	C23	0.7°	0.3°
C25	C27	C24	H10	179.3°	180.0°
C27	C25	C26	H17	179.7°	179.9°
C10	C15	C14	H7	180.0°	180.0°
C10	C15	C14	C13	0.8°	0.1°
C15	C10	C11	H3	179.4°	179.9°
C10	C15	C14	H6	179.2°	180.0°
C4	C3	C2	O16	179.0°	180.0°
C3	C4	C18	H12	180.0°	180.0°
C4	C3	C2	C1	3.4°	0.0°
C3	C4	C18	C17	1.1°	0.0°
C3	C4	C18	C19	178.8°	179.9°
C3	C2	O16	C1	177.6°	180.0°
C2	C3	C4	C18	2.7°	0.0°
C3	C2	C1	C17	2.4°	0.0°
C3	C2	C1	H1	177.6°	179.7°
C2	C3	C4	H12	177.3°	180.0°
C3	C2	O16	H14	180.0°	95.1°
C28	C23	C24	C27	2.0°	0.3°
C28	C23	C24	C22	174.1°	180.0°
C28	C23	C22	C19	121.8°	90.0°
C28	C23	C22	H8	117.2°	150.0°
C28	C23	C22	H9	0.9°	30.0°
C28	C23	C24	H10	178.0°	180.0°
C23	C28	C26	H17	179.0°	179.9°
O16	C2	C1	C17	179.9°	180.0°
O16	C2	C1	H1	0.1°	0.3°
C12	C13	C14	C15	0.5°	0.0°
C12	C13	C14	H5	180.0°	180.0°
C13	C12	C11	H3	179.1°	179.9°
C12	C13	C14	H6	179.5°	179.9°
C27	C24	C23	H10	180.0°	179.7°
C27	C24	C23	C22	176.0°	179.7°
C24	C27	C25	H16	179.5°	180.0°
C4	C18	C17	C19	179.9°	180.0°
C4	C18	C17	C1	0.1°	0.0°
C4	C18	C19	C22	2.4°	0.2°
C4	C18	C17	N21	177.7°	179.9°
C4	C18	C19	N20	175.0°	180.0°
C2	C1	C17	C18	0.7°	0.0°
C2	C1	C17	H1	180.0°	179.7°
C2	C1	C17	N21	177.5°	179.8°
C1	C2	O16	H14	2.4°	85.0°
C15	C14	C13	H6	180.0°	179.9°
C15	C14	C13	H5	179.5°	180.0°
C24	C23	C22	C19	64.1°	90.0°
C24	C23	C22	H8	56.9°	30.0°
C24	C23	C22	H9	174.9°	150.0°
C23	C24	C27	H11	179.3°	179.7°
C24	C23	C28	H18	177.9°	179.8°
C23	C22	C19	C18	81.6°	85.2°
C23	C22	C19	H8	121.0°	120.0°
C23	C22	C19	H9	121.0°	120.0°
C23	C22	C19	N20	107.2°	95.1°
C23	C22	H8	H9	116.9°	120.0°
C22	C23	C24	H10	4.0°	0.1°
C22	C23	C28	H18	3.7°	0.2°
C14	C13	C12	H4	179.6°	179.9°
C13	C14	C15	H7	179.2°	180.0°
C18	C17	C1	N21	176.8°	179.8°
C17	C18	C19	C22	177.5°	179.8°
C17	C18	C19	N20	4.8°	0.1°
C18	C17	N21	N20	1.0°	0.2°
C18	C17	C1	H1	179.3°	179.7°
C17	C18	C4	H12	178.9°	180.0°
C19	C18	C17	C1	179.8°	179.9°
C18	C19	C22	N20	171.2°	179.7°
C19	C18	C17	N21	2.2°	0.1°
C18	C19	N20	N21	5.5°	0.2°
C18	C19	C22	H8	157.4°	154.8°
C18	C19	C22	H9	39.4°	34.8°
C19	C18	C4	H12	1.2°	0.1°
C18	C19	N20	H15	174.5°	179.9°
C1	C17	N21	N20	176.1°	180.0°
C22	C19	N20	N21	177.9°	180.0°
C19	C22	H8	H9	116.9°	119.9°
C22	C19	N20	H15	2.1°	0.1°
C17	N21	N20	C19	4.2°	0.3°
N21	C17	C1	H1	2.5°	0.1°
C17	N21	N20	H15	175.8°	179.9°
C19	N20	N21	H15	180.0°	179.9°
N20	C19	C22	H8	13.7°	24.9°
N20	C19	C22	H9	131.8°	144.9°
H2	C7	C6	H13	0.1°	0.2°
H3	C11	C12	H4	0.9°	0.0°
H4	C12	C13	H5	0.4°	0.0°
H5	C13	C14	H6	0.5°	0.1°
H6	C14	C15	H7	0.8°	0.1°
H10	C24	C27	H11	0.7°	0.0°
H11	C27	C25	H16	0.5°	0.0°
H16	C25	C26	H17	0.3°	0.1°
H17	C26	C28	H18	1.0°	0.2°

Release date:	2018-05-30
Definition date:	2017-11-11
Last modified:	2018-05-25
Release status:	REL
Processing site:	EBI
Derived from:	6EYB